Geometry & MOs

Info

ID:	237940
PubChem CID:	92722919
Reduced:	FN2O2H23C25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	410.124212
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	4.09
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C[C@@H](C2=CC=C(C=C2)F)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations